REMARK Name = BDB048933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.700 -0.944 -0.263 0.00 0.00 +0.129 A ATOM 2 C LIG 1 -0.277 -0.784 0.720 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -1.141 -1.842 1.040 0.00 0.00 -0.027 A ATOM 4 C LIG 1 -1.023 -3.052 0.342 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.057 -3.203 -0.655 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.801 -2.147 -0.964 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.483 0.153 -0.544 0.00 0.00 -0.456 OA BRANCH 7 13 ATOM 8 C LIG 1 5.402 1.005 -3.297 0.00 0.00 +0.044 C ATOM 9 C LIG 1 4.813 0.392 -2.055 0.00 0.00 -0.044 A ATOM 10 C LIG 1 5.592 -0.343 -1.136 0.00 0.00 -0.044 A ATOM 11 C LIG 1 4.969 -0.917 -0.012 0.00 0.00 +0.007 A ATOM 12 C LIG 1 3.600 -0.768 0.205 0.00 0.00 +0.046 A ATOM 13 C LIG 1 2.831 -0.060 -0.714 0.00 0.00 +0.129 A ATOM 14 C LIG 1 3.433 0.529 -1.826 0.00 0.00 +0.050 A BRANCH 10 15 ATOM 15 C LIG 1 7.090 -0.508 -1.293 0.00 0.00 +0.046 C BRANCH 15 16 ATOM 16 C LIG 1 7.873 0.673 -0.729 0.00 0.00 +0.125 C BRANCH 16 17 ATOM 17 C LIG 1 7.964 0.616 0.774 0.00 0.00 +0.305 C ATOM 18 O LIG 1 8.876 0.069 1.376 0.00 0.00 -0.251 OA BRANCH 17 19 ATOM 19 O LIG 1 6.934 1.217 1.408 0.00 0.00 -0.481 OA ATOM 20 H LIG 1 6.236 1.546 0.806 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 7 13 ENDBRANCH 1 7 BRANCH 3 21 ATOM 21 C LIG 1 -2.210 -1.652 2.083 0.00 0.00 +0.140 C BRANCH 21 22 ATOM 22 N LIG 1 -3.310 -0.890 1.542 0.00 0.00 -0.307 N ATOM 23 H LIG 1 -3.495 -0.964 0.552 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -4.280 -0.373 2.365 0.00 0.00 +0.245 C ATOM 25 O LIG 1 -4.274 -0.483 3.585 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 -5.419 0.292 1.678 0.00 0.00 +0.040 A ATOM 27 C LIG 1 -5.258 1.249 0.657 0.00 0.00 -0.038 A ATOM 28 C LIG 1 -3.912 1.741 0.200 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -6.410 1.773 0.041 0.00 0.00 +0.016 A ATOM 30 C LIG 1 -7.700 1.401 0.459 0.00 0.00 +0.055 A ATOM 31 C LIG 1 -7.834 0.477 1.504 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -6.703 -0.069 2.111 0.00 0.00 +0.014 A BRANCH 30 33 ATOM 33 C LIG 1 -8.928 1.967 -0.214 0.00 0.00 +0.417 C ATOM 34 F LIG 1 -9.907 2.310 0.670 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -8.676 3.090 -0.943 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -9.497 1.081 -1.078 0.00 0.00 -0.166 F ENDBRANCH 30 33 ENDBRANCH 24 26 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 10